Numerical investigation of oil droplet detachment from wall surface by a microbubble using ternary phase ‐field model
In this study, we investigated the detachment of an oil droplet from a wall surface by microbubbles (MBs) using the numerical simulation of a gas –liquid–liquid three-phase flow based on a phase-field model. A single MB was collided with an oil droplet adhered to a wall surface to determine whether the droplet would detach from the wall. It was confirmed that the oil droplet detached from the wall when the interfacial tension between the water and oil or between the bubble and oil was low. To clarify the mechanism, we theoretically calculated the balance of interfacial tension at the three-fluid contact line. The lower...
Source: AIChE Journal - February 17, 2024 Category: Science Authors: Yuki Yuhara,
Mohammadreza Shirzadi,
Tomonori Fukasawa,
Kunihiro Fukui,
Toru Ishigami Tags: RESEARCH ARTICLE Source Type: research
Issue Information ‐ Table of Contents
(Source: AIChE Journal)
Source: AIChE Journal - February 17, 2024 Category: Science Tags: ISSUE INFORMATION ‐ TABLE OF CONTENTS Source Type: research
Quantum chemical calculation driven insights into deep eutectic solvent ‐accelerated photoinduced reversible complexation‐mediated polymerization
AbstractDeep eutectic solvent (DES) is used as both photocatalyst and solvent for photoinduced reversible complexation-mediated polymerization (photo-RCMP), which enables a rapid polymerization to produce polymers with predictable molar mass and low molar mass dispersity (Đ). This work illustrates a comprehensive understanding of DES-accelerated RCMP's mechanism and kinetic features through quantum chemical calculations and kinetic modeling. According to the results, electrons transferring from hydrogen bond in DES to iodine atom in alkyl iodide (RI) initiator under light irradiation lowers the decomposition free energy o...
Source: AIChE Journal - February 16, 2024 Category: Science Authors: Shen Li,
Xin Fu,
Yin ‐Ning Zhou,
Zhong‐Xin Liu,
Lin‐Xi Hou,
Zheng‐Hong Luo Tags: RESEARCH ARTICLE Source Type: research
Modeling multicomponent wax deposition and aging on cold surfaces with application to pipeline fouling
AbstractA multicomponent model is developed for wax deposition onto a cold finger from a stirred wax-containing oil. It utilizes Coutinho's thermodynamic equations for wax component concentrations and energy and mass transport equations within the deposit and from the oil and is the first cold-finger model to predict both deposit thickness growth and aging by selective precipitation of heavier wax components. While it captures well deposit thickness growth, it requires preventing re-dissolution of deposited wax to avoid shrinkage not observed in experiments. The model predicts deposit aging reasonably well but with quantit...
Source: AIChE Journal - February 16, 2024 Category: Science Authors: Samuel A. Ogunwale,
Luqman Hakim Ahmad Mahir,
Ronald G. Larson Tags: RESEARCH ARTICLE Source Type: research
Efficient acid/alkali recovery enabled by only one negatively charged microporous polymer membrane
This article presents a negatively charged microporous polymer membrane, a sulfonated polyxanthene membrane, which has intrinsic micropore channels for H+/OH− permeation, and we find that highly selective H+ and OH− transport can be acquired with the same membrane. This membrane exhibits a high H+/Fe2+ selectivity of 617 (6.3 times that of the commercial CIMS membrane) in acid recovery and a very high OH−/WO42 − selectivity of 649 (the highest value ever reported) in alkali recovery while maintaining comparable H+/OH− transport rate. The results highlight the importance of hydrophilic micropores as ion-selective ...
Source: AIChE Journal - February 16, 2024 Category: Science Authors: Wenyi Wu,
Junying Yan,
Hui Li,
Peipei Zuo,
Zhengjin Yang,
Tongwen Xu Tags: RESEARCH ARTICLE Source Type: research
Process modeling guides operational variables that affect CO2 utilization during the accelerated carbonation of concrete
AbstractAccelerated concrete carbonation is an expanding option for decarbonizing construction. Factors such as concrete mixture design and carbonation environment can influence the maximum CO2 utilization that can be achieved during such a process. A carbonation process designed to utilize a water-saturated dilute CO2 source wherein 2 < CO2 concentration (v/v%) < 16, was modeled in AspenPlus©. A regression model was developed to correlate CO2 uptake, relative humidity (11% –100%), CO2 concentration ([CO2] = 2—16 v/v%), and temperature (T = 11–74°C) conditions within a carbonation reactor...
Source: AIChE Journal - February 15, 2024 Category: Science Authors: Dale P. Prentice,
Othman AlShareedah,
Manas Sarkar,
Jenny Arabit,
Iman Mehdipour,
Shaik Afzal,
Junwei Luo,
Fahim Abdullah,
Sungil Yun,
Panagiotis D. Christofides,
Dante Simonetti,
Gaurav Sant Tags: RESEARCH ARTICLE Source Type: research
Mechanism and kinetics of self ‐sensitized photocycloaddition of cyclohexenone and norbornene
AbstractSolar-driven conversion of renewable biomass resources into high-density hydrocarbon fuels can effectively realize biomass valorization and renewable energy conversion. In this work, an efficient self-sensitized [2 + 2] photocycloaddition process is explored to develop highly strained fuel with high yield using norbornene and biomass-derived cyclohexenone as feedstocks. The enhancement mechanism is revealed by phosphorescent measurement and theoretical calculation, and a reasonable reaction path for self- sensitized [2 + 2] co-cycloaddition is proposed. When using methanol as solvent, the apparent activati...
Source: AIChE Journal - February 15, 2024 Category: Science Authors: Ying Chen,
Xinfang Zhang,
Xiaolei Guo,
Minhua Ai,
Yumei Shu,
Chengxiang Shi,
Xiangwen Zhang,
Ji ‐Jun Zou,
Lun Pan Tags: RESEARCH ARTICLE Source Type: research
Ionic liquid binary mixtures: Machine learning ‐assisted modeling, solvent tailoring, process design, and optimization
AbstractThis work conducts a comprehensive modeling study on the viscosity, density, heat capacity, and surface tension of ionic liquid (IL)-IL binary mixtures by combining the group contribution (GC) method with three machine learning algorithms: artificial neural network, XGBoost, and LightGBM. A large number of experimental data from reliable open sources is exhaustively collected to train, validate, and test the proposed ML-based GC models. Furthermore, the Shapley Additive Explanations technique is employed to quantify the influential factors behind all the studied properties. Finally, these ML-based GC models are seq...
Source: AIChE Journal - February 13, 2024 Category: Science Authors: Yuqiu Chen,
Sulei Ma,
Yang Lei,
Xiaodong Liang,
Xinyan Liu,
Georgios M. Kontogeorgis,
Rafiqul Gani Tags: RESEARCH ARTICLE Source Type: research
Role of mechanotransduction on decision making for treatment of chronic wounds
The objective of this study is to take an initial step to determine and interpret the extents to which biophysical wound dressing properties impact mechanotransduction within a wound tissue. Current experimental techniques make it challenging to investigate many of the complexities of the wound healing process. Thus, the purpose of this study is to begin with computational models and theoretical descriptions that propose predictions and explanations of the role of various mechanical wound dressing characteristics on mechanotransduction in wound tissues. Three-dimensional models of wound tissue and wound dressings have been...
Source: AIChE Journal - February 12, 2024 Category: Science Authors: Kelly McElvain,
Sandeep Gopalakrishnan,
Mahsa Dabagh Tags: RESEARCH ARTICLE Source Type: research
